N-[4-(cyanomethyl)phenyl]-4-[(4-methylpiperazine-1-sulfonyl)methyl]benzamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-4-[(4-methylpiperazine-1-sulfonyl)methyl]benzamide
N-[4-(cyanomethyl)phenyl]-4-[(4-methylpiperazine-1-sulfonyl)methyl]benzamide
Compound characteristics
| Compound ID: | Y300-1291 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-4-[(4-methylpiperazine-1-sulfonyl)methyl]benzamide |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C21 H24 N4 O3 S |
| Smiles: | CN1CCN(CC1)S(Cc1ccc(cc1)C(Nc1ccc(CC#N)cc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0545 |
| logD: | 1.0048 |
| logSw: | -2.275 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.903 |
| InChI Key: | WJTHPLWBSSESBN-UHFFFAOYSA-N |